Crystallography Open Database

Information card for entry 4342734

Preview

Coordinates	4342734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H104 Cl4 Fe3 N18 O6 Se6
Calculated formula	C102 H72 Fe3 N18 Se6
Title of publication	Coligand and Solvent Effects on the Architectures and Spin-Crossover Properties of (4,4)-Connected Iron(II) Coordination Polymers.
Authors of publication	Wu, Xue-Ru; Shi, Hai-Yan; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	8
Pages of publication	3773 - 3780
a	28.5702 ± 0.0013 Å
b	13.398 ± 0.0007 Å
c	31.5549 ± 0.0014 Å
α	90°
β	97.831 ± 0.004°
γ	90°
Cell volume	11966.1 ± 1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1887
Residual factor for significantly intense reflections	0.1496
Weighted residual factors for significantly intense reflections	0.3596
Weighted residual factors for all reflections included in the refinement	0.3884
Goodness-of-fit parameter for all reflections included in the refinement	1.968
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4342734.html